In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-N2-ethyl-2-methyl-N2-(2-thienylmethyl)butane-1,2-diamine (2S)-N2-ethyl-2-methyl-N2-(2-thi…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.13 | 4.02 | -39.24 | 3 | 2 | 1 | 31 | 227.397 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 5.61 | -112.8 | 4 | 2 | 2 | 32 | 228.405 | 6 | ↓ |